HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10235",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10233",
"results": [
{
"id": "mp-188",
"created_at": "2022-09-04T14:40:41.239474Z",
"structure_string": "Al1 Pt3\n1.0\n3.922808 0.000000 0.000000\n0.000000 3.922808 0.000000\n0.000000 0.000000 3.922808\nAl Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Pt"
],
"chemical_system": "Al-Pt",
"density": 16.84127848768392,
"density_atomic": 0.06626265519406896,
"volume": 60.365827301741334,
"volume_molar": 9.088287727623433,
"formula_full": "Al1 Pt3",
"formula_reduced": "AlPt3",
"formula_anonymous": "AB3",
"energy": -24.68077976,
"energy_per_atom": -6.17019494,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.68077976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030436,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.656000Z",
"spacegroup": 221
},
{
"id": "mp-1246391",
"created_at": "2022-09-04T14:40:41.246391Z",
"structure_string": "Pb16 C4 N16\n1.0\n11.343207 0.000000 0.000000\n0.000000 3.530677 0.000000\n0.000000 0.000000 18.013539\nPb C N\n16 4 16\ndirect\n0.565872 0.250000 0.921549 Pb\n0.065872 0.250000 0.578451 Pb\n0.434128 0.750000 0.078451 Pb\n0.934128 0.750000 0.421549 Pb\n0.632683 0.250000 0.464544 Pb\n0.132683 0.250000 0.035456 Pb\n0.367317 0.750000 0.535456 Pb\n0.867317 0.750000 0.964544 Pb\n0.786557 0.250000 0.796898 Pb\n0.286557 0.250000 0.703102 Pb\n0.213443 0.750000 0.203102 Pb\n0.713443 0.750000 0.296898 Pb\n0.924580 0.250000 0.174288 Pb\n0.424580 0.250000 0.325712 Pb\n0.075420 0.750000 0.825712 Pb\n0.575420 0.750000 0.674288 Pb\n0.674951 0.250000 0.104354 C\n0.174951 0.250000 0.395646 C\n0.325049 0.750000 0.895646 C\n0.825049 0.750000 0.604354 C\n0.574080 0.250000 0.131178 N\n0.074080 0.250000 0.368822 N\n0.425920 0.750000 0.868822 N\n0.925920 0.750000 0.631178 N\n0.775646 0.250000 0.077417 N\n0.275646 0.250000 0.422583 N\n0.224354 0.750000 0.922583 N\n0.724354 0.750000 0.577417 N\n0.792317 0.250000 0.378081 N\n0.292317 0.250000 0.121919 N\n0.207683 0.750000 0.621919 N\n0.707683 0.750000 0.878081 N\n0.955199 0.250000 0.873418 N\n0.455199 0.250000 0.626582 N\n0.044801 0.750000 0.126582 N\n0.544801 0.750000 0.373418 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Pb",
"C",
"N"
],
"chemical_system": "C-N-Pb",
"density": 8.257145892918082,
"density_atomic": 0.049901041575729645,
"volume": 721.4278272201298,
"volume_molar": 12.068166454723837,
"formula_full": "Pb16 C4 N16",
"formula_reduced": "Pb4CN4",
"formula_anonymous": "AB4C4",
"energy": -220.3097911,
"energy_per_atom": -6.119716419444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.5337911,
"band_gap": 0.3431999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.93e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.469000Z",
"spacegroup": 62
},
{
"id": "mp-30886",
"created_at": "2022-09-04T14:40:41.258817Z",
"structure_string": "Y1 Zn12\n1.0\n-4.455322 4.455322 2.598900\n4.455322 -4.455322 2.598900\n4.455322 4.455322 -2.598900\nY Zn\n1 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.283942 0.500000 0.783942 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.645411 0.000000 0.645411 Zn\n0.000000 0.354589 0.354589 Zn\n0.000000 0.645411 0.645411 Zn\n0.354589 0.000000 0.354589 Zn\n0.716058 0.500000 0.216058 Zn\n0.500000 0.283942 0.783942 Zn\n0.500000 0.716058 0.216058 Zn\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 7.0316989094557965,
"density_atomic": 0.06299928161828708,
"volume": 206.35155935216937,
"volume_molar": 9.559062588186602,
"formula_full": "Y1 Zn12",
"formula_reduced": "YZn12",
"formula_anonymous": "AB12",
"energy": -23.99917321,
"energy_per_atom": -1.8460902469230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.99917321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0677856,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.390000Z",
"spacegroup": 139
},
{
"id": "mp-10102",
"created_at": "2022-09-04T14:40:41.386865Z",
"structure_string": "K1 Ag1 C2\n1.0\n4.336709 0.000000 0.000000\n0.000000 4.336709 0.000000\n0.000000 0.000000 5.343550\nK Ag C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.616907 C\n0.000000 0.000000 0.383093 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ag",
"C"
],
"chemical_system": "Ag-C-K",
"density": 2.8252965291769754,
"density_atomic": 0.039802426705803126,
"volume": 100.49638504621144,
"volume_molar": 15.130084415486111,
"formula_full": "K1 Ag1 C2",
"formula_reduced": "KAgC2",
"formula_anonymous": "ABC2",
"energy": -20.98056137,
"energy_per_atom": -5.2451403425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.98056137,
"band_gap": 2.4769,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.850000Z",
"spacegroup": 123
},
{
"id": "mp-30494",
"created_at": "2022-09-04T14:40:41.060213Z",
"structure_string": "Sc2 Cd6\n1.0\n3.199589 -5.541850 0.000000\n3.199589 5.541850 0.000000\n0.000000 0.000000 4.911422\nSc Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Sc\n0.666667 0.333333 0.750000 Sc\n0.833034 0.666068 0.250000 Cd\n0.166966 0.833034 0.750000 Cd\n0.666068 0.833034 0.750000 Cd\n0.333932 0.166966 0.250000 Cd\n0.833034 0.166966 0.250000 Cd\n0.166966 0.333932 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Cd"
],
"chemical_system": "Cd-Sc",
"density": 7.287372471950394,
"density_atomic": 0.04593077552370262,
"volume": 174.17515617326322,
"volume_molar": 13.111341342129675,
"formula_full": "Sc2 Cd6",
"formula_reduced": "ScCd3",
"formula_anonymous": "AB3",
"energy": -19.91749514,
"energy_per_atom": -2.4896868925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.91749514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029148,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.172000Z",
"spacegroup": 194
},
{
"id": "mp-4649",
"created_at": "2022-09-04T14:40:41.211180Z",
"structure_string": "Pd2 Se4 O10\n1.0\n2.949181 6.343208 0.000000\n-2.949181 6.343208 0.000000\n0.000000 2.178484 7.165400\nPd Se O\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.522086 0.746220 0.684637 Se\n0.253780 0.477914 0.815363 Se\n0.746220 0.522086 0.184637 Se\n0.477914 0.253780 0.315363 Se\n0.907666 0.342469 0.372727 O\n0.657531 0.092334 0.127273 O\n0.092334 0.657531 0.627273 O\n0.342469 0.907666 0.872727 O\n0.469143 0.530857 0.250000 O\n0.530857 0.469143 0.750000 O\n0.344987 0.904592 0.502553 O\n0.095408 0.655013 0.997447 O\n0.655013 0.095408 0.497447 O\n0.904592 0.344987 0.002553 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 4.265618090629221,
"density_atomic": 0.05968142274353064,
"volume": 268.09012360105595,
"volume_molar": 10.09047787932098,
"formula_full": "Pd2 Se4 O10",
"formula_reduced": "PdSe2O5",
"formula_anonymous": "AB2C5",
"energy": -91.17352383,
"energy_per_atom": -5.698345239375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.30352383,
"band_gap": 1.0057,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.849000Z",
"spacegroup": 15
},
{
"id": "mp-1191338",
"created_at": "2022-09-04T14:40:40.920427Z",
"structure_string": "Tl4 Hg4 As4 S12\n1.0\n-5.836457 5.836457 5.313163\n5.836457 -5.836457 5.313163\n5.836457 5.836457 -5.313163\nTl Hg As S\n4 4 4 12\ndirect\n0.342412 0.342412 0.000000 Tl\n0.657588 0.657588 0.000000 Tl\n0.750000 0.250000 0.500000 Tl\n0.250000 0.750000 0.500000 Tl\n0.000000 0.276695 0.276695 Hg\n0.000000 0.723305 0.723305 Hg\n0.723305 0.000000 0.723305 Hg\n0.276695 0.000000 0.276695 Hg\n0.018822 0.018822 0.496321 As\n0.522501 0.522501 0.503679 As\n0.981178 0.477499 0.000000 As\n0.477499 0.981178 0.000000 As\n0.084698 0.286793 0.553065 S\n0.733729 0.531633 0.446935 S\n0.915302 0.468367 0.202096 S\n0.266271 0.713207 0.797904 S\n0.713207 0.266271 0.797904 S\n0.468367 0.915302 0.202096 S\n0.286793 0.084698 0.553065 S\n0.531633 0.733729 0.446935 S\n0.026409 0.026409 0.740052 S\n0.286357 0.286357 0.259948 S\n0.973591 0.713643 0.000000 S\n0.713643 0.973591 0.000000 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tl",
"Hg",
"As",
"S"
],
"chemical_system": "As-Hg-S-Tl",
"density": 5.285519003917626,
"density_atomic": 0.03315122112945923,
"volume": 723.955232486831,
"volume_molar": 18.16566797489259,
"formula_full": "Tl4 Hg4 As4 S12",
"formula_reduced": "TlHgAsS3",
"formula_anonymous": "ABCD3",
"energy": -87.97614021,
"energy_per_atom": -3.6656725087499997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.94014021,
"band_gap": 0.1995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003423,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.671000Z",
"spacegroup": 121
},
{
"id": "mp-1073035",
"created_at": "2022-09-04T14:40:40.926009Z",
"structure_string": "Mg4 Si6\n1.0\n4.331390 0.000000 0.000000\n-1.122653 5.384289 0.000000\n-0.212206 -1.607064 8.135445\nMg Si\n4 6\ndirect\n0.199998 0.339000 0.580264 Mg\n0.800002 0.661000 0.419736 Mg\n0.847326 0.774190 0.800636 Mg\n0.152674 0.225810 0.199364 Mg\n0.989554 0.344608 0.879416 Si\n0.548851 0.872638 0.116770 Si\n0.451149 0.127362 0.883230 Si\n0.010446 0.655392 0.120584 Si\n0.370133 0.869566 0.600407 Si\n0.629867 0.130434 0.399593 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3257210445216603,
"density_atomic": 0.05270636128536456,
"volume": 189.73041879817245,
"volume_molar": 11.425832884563448,
"formula_full": "Mg4 Si6",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -37.65342515,
"energy_per_atom": -3.7653425149999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.07942515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.746000Z",
"spacegroup": 2
},
{
"id": "mp-640564",
"created_at": "2022-09-04T14:40:40.936209Z",
"structure_string": "Ag2 Sb2 C12 N8 O4 F12\n1.0\n5.171390 5.983753 0.000000\n-5.171390 5.983753 0.000000\n0.000000 0.048039 10.688679\nAg Sb C N O F\n2 2 12 8 4 12\ndirect\n0.303065 0.696935 0.750000 Ag\n0.696935 0.303065 0.250000 Ag\n0.702373 0.297627 0.750000 Sb\n0.297627 0.702373 0.250000 Sb\n0.226014 0.052632 0.941680 C\n0.184437 0.215889 0.007955 C\n0.792527 0.635067 0.069530 C\n0.815563 0.784111 0.992045 C\n0.215889 0.184437 0.507955 C\n0.052632 0.226014 0.441680 C\n0.364933 0.207473 0.430470 C\n0.784111 0.815563 0.492045 C\n0.635067 0.792527 0.569530 C\n0.947368 0.773986 0.558320 C\n0.207473 0.364933 0.930470 C\n0.773986 0.947368 0.058320 C\n0.256430 0.923797 0.888689 N\n0.772233 0.520518 0.133189 N\n0.520518 0.772233 0.633189 N\n0.076203 0.743570 0.611311 N\n0.923797 0.256430 0.388689 N\n0.743570 0.076203 0.111311 N\n0.227767 0.479482 0.866811 N\n0.479482 0.227767 0.366811 N\n0.225972 0.135687 0.616032 O\n0.135687 0.225972 0.116032 O\n0.774028 0.864313 0.383968 O\n0.864313 0.774028 0.883968 O\n0.895266 0.228425 0.857477 F\n0.104734 0.771575 0.142523 F\n0.630919 0.491359 0.855300 F\n0.228425 0.895266 0.357477 F\n0.491359 0.630919 0.355300 F\n0.508641 0.369081 0.644700 F\n0.838018 0.431508 0.652177 F\n0.161982 0.568492 0.347823 F\n0.369081 0.508641 0.144700 F\n0.568492 0.161982 0.847823 F\n0.771575 0.104734 0.642523 F\n0.431508 0.838018 0.152177 F\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Ag",
"Sb",
"C",
"N",
"O",
"F"
],
"chemical_system": "Ag-C-F-N-O-Sb",
"density": 2.528851476109752,
"density_atomic": 0.060467917450006986,
"volume": 661.5078158276374,
"volume_molar": 9.95923295188547,
"formula_full": "Ag2 Sb2 C12 N8 O4 F12",
"formula_reduced": "AgSbC6N4(OF3)2",
"formula_anonymous": "ABC2D4E6F6",
"energy": -271.30193405,
"energy_per_atom": -6.78254835125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.12193405,
"band_gap": 1.4559,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.276000Z",
"spacegroup": 15
},
{
"id": "mp-973606",
"created_at": "2022-09-04T14:40:40.960108Z",
"structure_string": "Nd2 Ir1 Au1\n1.0\n0.000000 3.630747 3.630747\n3.630747 0.000000 3.630747\n3.630747 3.630747 0.000000\nNd Ir Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Ir",
"Au"
],
"chemical_system": "Au-Ir-Nd",
"density": 11.755682348363099,
"density_atomic": 0.041787080919703845,
"volume": 95.72336502006968,
"volume_molar": 14.411489454292996,
"formula_full": "Nd2 Ir1 Au1",
"formula_reduced": "Nd2IrAu",
"formula_anonymous": "ABC2",
"energy": -24.36130663,
"energy_per_atom": -6.0903266575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.36130663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.338000Z",
"spacegroup": 225
},
{
"id": "mp-975204",
"created_at": "2022-09-04T14:40:40.967739Z",
"structure_string": "Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.554570124248827,
"density_atomic": 0.01095364583240984,
"volume": 182.58760878340294,
"volume_molar": 54.97841405627324,
"formula_full": "Rb2",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -1.93738593,
"energy_per_atom": -0.968692965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.93738593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0221897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.617000Z",
"spacegroup": 63
},
{
"id": "mp-1198027",
"created_at": "2022-09-04T14:40:40.971261Z",
"structure_string": "Li8 Si16 B8\n1.0\n6.840451 0.000000 0.000000\n0.000000 6.840451 0.000000\n0.000000 0.000000 8.854562\nLi Si B\n8 16 8\ndirect\n0.254011 0.500000 0.173097 Li\n0.745989 0.500000 0.173097 Li\n0.000000 0.754011 0.673097 Li\n0.000000 0.245989 0.673097 Li\n0.245989 0.000000 0.326903 Li\n0.754011 0.000000 0.326903 Li\n0.500000 0.745989 0.826903 Li\n0.500000 0.254011 0.826903 Li\n0.819531 0.500000 0.886470 Si\n0.180469 0.500000 0.886470 Si\n0.000000 0.319531 0.386470 Si\n0.000000 0.680469 0.386470 Si\n0.680469 0.000000 0.613530 Si\n0.319531 0.000000 0.613530 Si\n0.500000 0.180469 0.113530 Si\n0.500000 0.819531 0.113530 Si\n0.316664 0.500000 0.629784 Si\n0.683336 0.500000 0.629784 Si\n0.000000 0.816664 0.129784 Si\n0.000000 0.183336 0.129784 Si\n0.183336 0.000000 0.870216 Si\n0.816664 0.000000 0.870216 Si\n0.500000 0.683336 0.370216 Si\n0.500000 0.316664 0.370216 Si\n0.241748 0.758252 0.000000 B\n0.758252 0.758252 0.000000 B\n0.241748 0.241748 0.000000 B\n0.758252 0.241748 0.000000 B\n0.258252 0.741748 0.500000 B\n0.741748 0.741748 0.500000 B\n0.258252 0.258252 0.500000 B\n0.741748 0.258252 0.500000 B\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Si",
"B"
],
"chemical_system": "B-Li-Si",
"density": 2.370184273070746,
"density_atomic": 0.07723487047064083,
"volume": 414.3206275223069,
"volume_molar": 7.797178558471445,
"formula_full": "Li8 Si16 B8",
"formula_reduced": "LiSi2B",
"formula_anonymous": "ABC2",
"energy": -160.09479733,
"energy_per_atom": -5.0029624165625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.09479733,
"band_gap": 1.1667999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.808000Z",
"spacegroup": 137
}
]
}